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886685-28-5 molecular structure
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3-(2-methoxyphenyl)-3-methylpentan-1-amine

ChemBase ID: 312122
Molecular Formular: C13H21NO
Molecular Mass: 207.31194
Monoisotopic Mass: 207.1623143
SMILES and InChIs

SMILES:
c1(C(CCN)(CC)C)c(OC)cccc1
Canonical SMILES:
NCCC(c1ccccc1OC)(CC)C
InChI:
InChI=1S/C13H21NO/c1-4-13(2,9-10-14)11-7-5-6-8-12(11)15-3/h5-8H,4,9-10,14H2,1-3H3
InChIKey:
MEAPSHHXCPRNDS-UHFFFAOYSA-N

Cite this record

CBID:312122 http://www.chembase.cn/molecule-312122.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(2-methoxyphenyl)-3-methylpentan-1-amine
IUPAC Traditional name
3-(2-methoxyphenyl)-3-methylpentan-1-amine
Synonyms
3-(2-methoxyphenyl)-3-methyl-1-pentanamine
CAS Number
886685-28-5
MDL Number
MFCD07065418

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.31328893  LogD (pH = 7.4) 0.2202287 
Log P 2.7062078  Molar Refractivity 63.9753 cm3
Polarizability 25.374876 Å3 Polar Surface Area 35.25 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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